Dataset

Caledonixanthone Q.2d

Chemical Information

molecular Image
InChI InChI=1S/C19H18O7/c1-7-19(2,3)11-16-10(14(23)18(24-4)17(11)25-7)12(21)8-5-6-9(20)13(22)15(8)26-16/h5-7,20,22-23H,1-4H3
SMILES COC1=C(O)C2=C(OC3=C(O)C(O)=CC=C3C2=O)C2=C1OC(C)C2(C)C
InChI Key PEFMWXZDWQPMAQ-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p64.s452.d2353
License URL https://creativecommons.org/licenses/by-sa/4.0/legalcode
Source https://nmrxiv.org/D2353
Version
Author
Maintainer
Language english
MetadataPublished 2024-06-18 12:01:00
Related Molecule
  • nfdi4chem-mol6836 (Unknown Molecule)
    • Field Value
    Measurement Technique 2d
    Measurement Variables
    NMR solvent : ACETONE-D6

    acquisition nucleus : 1H , 13C

    NMR spectrum by dimensionality : 2

    NMR probe : 2774

    Temperature : 292.15 K

    irradiation frequency : 399.79256015247455 MHz , 100.54933803934405 MHz

    magnetic field strength : 9.389766 Tesla

    number of scans : 64 scans

    nuclear magnetic resonance pulse sequence : hmbc.jxp

    Spectral Width : 23.75913755462969 , 250.19477286470737

    number of data points : 2048 points

    relaxation time measurement : 1.5 seconds

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.